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5-(4-Acetamidophenyl)-4-isopropyltropolone
SpectraBase Compound ID 2Qzu4nUGhih
InChI InChI=1S/C18H19NO3/c1-11(2)16-10-18(22)17(21)9-8-15(16)13-4-6-14(7-5-13)19-12(3)20/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKey KWMKGVCEPYBPGY-UHFFFAOYSA-N
Mol Weight 297.35 g/mol
Molecular Formula C18H19NO3
Exact Mass 297.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HMEHtg1PvMo
Name 5-(4-Acetamidophenyl)-4-isopropyltropolone
Alternate Name(s) N-[4-(4-hydroxy-2-isopropyl-5-oxo-1,3,6-cycloheptatrien-1-yl)phenyl]acetamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19NO3
InChI InChI=1S/C18H19NO3/c1-11(2)16-10-18(22)17(21)9-8-15(16)13-4-6-14(7-5-13)19-12(3)20/h4-11H,1-3H3,(H,19,20)(H,21,22)
InChIKey KWMKGVCEPYBPGY-UHFFFAOYSA-N
Molecular Weight 297.354 g/mol
SMILES OC1=CC(=C(c2ccc(NC(=O)C)cc2)C=CC1=O)C(C)C
SPLASH splash10-0f8a-0090000000-e0f5b7f31923b6e340f8
Source of Spectrum AJ-62-139-18
Wiley ID 1300260